4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C25H31FN4O3 — CID 4787425

IUPAC4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H31FN4O3/c26-21-8-6-19(7-9-21)23(29-14-16-33-17-15-29)18-27-24(31)20-10-12-30(13-11-20)25(32)28-22-4-2-1-3-5-22/h1-9,20,23H,10-18H2,(H,27,31)(H,28,32)
InChIKeyVHTWQDZEQWVUOQ-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.26
Rot. Bonds6

About 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 4787425) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID4787425
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Name4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H31FN4O3/c26-21-8-6-19(7-9-21)23(29-14-16-33-17-15-29)18-27-24(31)20-10-12-30(13-11-20)25(32)28-22-4-2-1-3-5-22/h1-9,20,23H,10-18H2,(H,27,31)(H,28,32)
InChIKeyVHTWQDZEQWVUOQ-UHFFFAOYSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 26021668
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
CID 112793827
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
CID 55331695
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
methyl 1-[N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254047
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 4787425) is 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is VHTWQDZEQWVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O3/c26-21-8-6-19(7-9-21)23(29-14-16-33-17-15-29)18-27-24(31)20-10-12-30(13-11-20)25(32)28-22-4-2-1-3-5-22/h1-9,20,23H,10-18H2,(H,27,31)(H,28,32).
What are the key properties of 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 4787425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).